N-[4-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(4-chlorobenzyl)pyrazol-3-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C25H31ClN4O2 MolecularWeight: 454.99224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=NN4CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=NN4CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H31ClN4O2/c26-21-5-3-17(4-6-21)16-30-22(7-9-28-30)29-23(31)2-1-8-27-24(32)25-13-18-10-19(14-25)12-20(11-18)15-25/h3-7,9,18-20H,1-2,8,10-16H2,(H,27,32)(H,29,31)